2-methyl-1-(2-methylphenyl)propan-2-amine hydrochloride

• ChemBase ID: 269747
• Molecular Formular: C11H18ClN
• Molecular Mass: 199.72032
• Monoisotopic Mass: 199.11277726
• SMILES: c1(CC(N)(C)C)c(C)cccc1.Cl
• Canonical SMILES: Cc1ccccc1CC(N)(C)C.Cl
• InChI: InChI=1S/C11H17N.ClH/c1-9-6-4-5-7-10(9)8-11(2,3)12;/h4-7H,8,12H2,1-3H3;1H
• InChIKey: BLQGMJYRZHAMDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-(2-methylphenyl)propan-2-amine hydrochloride
• IUPAC Traditional name: 2-methyl-1-(2-methylphenyl)propan-2-amine hydrochloride
• Synonyms: 2-methyl-1-(2-methylphenyl)propan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD01708232
• PubChem SID: 164325657
• PubChem CID: 116484

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.42682195
• LogD (pH = 7.4): -0.039813586
• Log P: 2.5982485
• Molar Refractivity: 53.3846 cm^3
• Polarizability: 20.975983 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 279 - 281°C
• Hydrophobicity(logP): 2.59

Product Information

• Purity: 95%